Chemical Properties of 4-Amino-3,5-dichlorobenzotrifluoride (CAS 24279-39-8)

InChI

InChI=1S/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

InChI Key

ITNMAZSPBLRJLU-UHFFFAOYSA-N

Formula

C7H4Cl2F3N

SMILES

Nc1c(Cl)cc(C(F)(F)F)cc1Cl

Molecular Weight¹

230.01

CAS

24279-39-8

Other Names

• 4-amino-3,5-diklórbenzotrifluorid
• Benzenamine, 2,6-dichloro-4-(trifluoromethyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.69; 328.01]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.15900e+01
Coefficient B			6.48100e-01
Coefficient C			-4.92280e-04
Coefficient D			1.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.69	J/mol×K	273.00	Calculated Property
Cp,gas	205.49	J/mol×K	353.78	Calculated Property
Cp,gas	231.80	J/mol×K	434.56	Calculated Property
Cp,gas	254.09	J/mol×K	515.33	Calculated Property
Cp,gas	272.78	J/mol×K	596.11	Calculated Property
Cp,gas	288.33	J/mol×K	676.89	Calculated Property
Cp,gas	301.19	J/mol×K	757.67	Calculated Property
Cp,gas	311.79	J/mol×K	838.44	Calculated Property
Cp,gas	320.58	J/mol×K	919.22	Calculated Property
Cp,gas	328.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Amino-3,5-dichlorobenzotrifluoride.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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